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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 34, 1977 - Issue 4
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Research notes

An analytical function for the potential energy surface of ozone

J.N. Murrell School of Molecular Sciences, University of Sussex, Brighton, BN1 9QJ, U.K.
&
S. Farantos School of Molecular Sciences, University of Sussex, Brighton, BN1 9QJ, U.K.
Pages 1185-1188 | Received 14 Jul 1977, Published online: 22 Aug 2006

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A.J.C. Varandas & A.A.C.C. Pais. (1988) A realistic double many-body expansion (DMBE) potential energy surface for ground-state O3 from a multiproperty fit to ab initio calculations, and to experimental spectroscopic, inelastic scattering, and kinetic isotope thermal rate data. Molecular Physics 65:4, pages 843-860.
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S. Carter, I.M. Mills, J.N. Murrell & A.J.C. Varandas. (1982) Analytical potentials for triatomic molecules. Molecular Physics 45:5, pages 1053-1066.
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Articles from other publishers (22)

Thomas A. Baker & Gregory I. Gellene. (2002) Classical and quasi-classical trajectory calculations of isotope exchange and ozone formation proceeding through O+O2 collision complexes. The Journal of Chemical Physics 117:16, pages 7603-7613.
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Ralph Jaquet. 1999. Potential Energy Surfaces. Potential Energy Surfaces 97 175 .
. 1999. Advances in Chemical Physics. Advances in Chemical Physics 253 330 .
Allan Gross & G.D. Billing. (1997) Isotope effects on the rate constants for the processes O2 + O → O + O2 and O2 + O + Ar → O3 + Ar on a modified ground-state potential energy surface for ozone. Chemical Physics 217:1, pages 1-18.
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Roman Boča & Peter Pelikán. (1992) Quantum chemistry of coordination compounds. Coordination Chemistry Reviews 118, pages 1-405.
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Margarita Alberti, Ramón Sayós, Albert Solé & Antonio Aguilar. (1991) B( 2 P)+ H 2 O (X 1 A 1 ): a quasi-classical 3D trajectory calculation . J. Chem. Soc., Faraday Trans. 87:8, pages 1057-1068.
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A.A.C.C. Pais & A.J.C. Varandas. (1988) Thermal rate coefficients for the 18O+16O2→18O16O+16O reaction based on a single-valued DMBE potential energy surface for ground-state ozone. Journal of Molecular Structure: THEOCHEM 166, pages 335-338.
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Lawrence L. Lohr & A. J. Helman. (1987) A b   i n i t i o synthesis of the ozone ultraviolet continuum . The Journal of Chemical Physics 86:10, pages 5329-5336.
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O. Atabek, M. T. Bourgeois & M. Jacon. (1986) Three-dimensional analytical model for the photodissociation of symmetric triatomics. Absorption and fluorescence spectra of ozone. The Journal of Chemical Physics 84:12, pages 6699-6711.
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Craig Arnold, Nancy S. Gettys, Donald L. Thompson & Lionel M. Raff. (1986) Theoretical studies of vibrationally assisted reactions of the O3 ⋅ NO van der Waals complex. The Journal of Chemical Physics 84:7, pages 3803-3813.
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N. Sathyamurthy. (1985) Computational fitting of AB initio potential energy surfaces. Computer Physics Reports 3:1, pages 1-69.
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A.J.C. Varandas. (1985) A general approach to the potential energy functions of small polyatomic systems: Molecules and van der Waals molecules. Journal of Molecular Structure: THEOCHEM 120, pages 401-424.
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S.C. Farantos, J.N. Murrell & J.C. Hajduk. (1982) Monte Carlo calculations of classical density of states for non-separable polyatomic potential energy surfaces. Chemical Physics 68:1-2, pages 109-117.
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A.J.C. Varandas & J.N. Murrell. (1982) Dynamics of the 18O + 16O2(υ=0) exchange reaction on a new potential energy surface for ground-state ozone. Chemical Physics Letters 88:1, pages 1-6.
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David M. Hirst. 1982. Advances in Chemical Physics. Advances in Chemical Physics 517 587 .
S.C. Farantos & J.N. Murrell. (1981) On the transition from quasiperiodic to stochastic classical motion on real polyatomic potential energy surfaces. Chemical Physics 55:2, pages 205-214.
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James S. Wright, Shing-kuo Shih & Robert J. Buenker. (1980) Ab initio potential surface for ozone decomposition. Chemical Physics Letters 75:3, pages 513-518.
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J. N. Murrell. (1980) Analytical Functions for the Potential Energy Surfaces of Small Polyatomic Molecules. Israel Journal of Chemistry 19:1-4, pages 283-289.
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J.N.L. Connor. (1979) Reactive molecular collision calculations. Computer Physics Communications 17:1-2, pages 117-143.
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S. C. Farantos & J. N. Murrell. (2004) Classical dynamics of the O + ClO → Cl + O 2 and Cl + O 3 → ClO + O 2 reactions . International Journal of Quantum Chemistry 14:5, pages 659-674.
Crossref
Millard H. Alexander. (1978) Semiempirical potential surfaces and dynamical considerations for collisions between alkali metals and molecular oxygen: Li+O2 and Na+O2 . The Journal of Chemical Physics 69:8, pages 3502-3517.
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R. L. Vance & G. A. Gallup. (1978) Representation of a b   i n i t i o energy surfaces by analytic functions . The Journal of Chemical Physics 69:2, pages 736-741.
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